CAS RN: 1028332-22-0
2,4-DICHLORO-6-HYDROXYPHENYLBORONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-004180
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1028332-22-0 / (2,4-dichloro-6-hydroxyphenyl)boronic acid
(2,4-dichloro-6-hydroxyphenyl)boronic acid | 2,4-dichloro-6-hydroxyphenylboronic acid | MFCD12031243
Basic Information
CAS
1028332-22-0
Multi CAS
No
Molecular Formula
C6H5BCl2O3
Molecular Weight
206.820000
Exact Mass
205.970880
SMILES
B(C1=C(C=C(C=C1Cl)Cl)O)(O)O
InChI
InChI=1S/C6H5BCl2O3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10-12H
InChIKey
HVUKPDHNOFEQKX-UHFFFAOYSA-N
Synonyms
(2,4-dichloro-6-hydroxyphenyl)boronic acid
2,4-dichloro-6-hydroxyphenylboronic acid
MFCD12031243
SCHEMBL1425551
SCHEMBL29957125
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.95
TPSA
60.69
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
0.38
Consensus LogP
0.36
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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